USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 336 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 GLN : amide:sc= -0.0103 X(o=-0.9,f=-0.91) USER MOD Set 1.2: A 28 MET CE :methyl -179:sc= -0.888 (180deg=-0.913) USER MOD Single : A 1 TYR N :NH3+ -174:sc= 1.32 (180deg=1.03) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0229 (180deg=-0.252) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.113) USER MOD Single : A 10 HIS : no HE2:sc= 0.218 K(o=0.22,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0923) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00218 (180deg=-0.123) USER MOD Single : A 22 SER OG : rot 168:sc= 1.09 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0.512 (180deg=0.0502) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.405 (180deg=0.106) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= -0.565! (180deg=-0.573!) USER MOD Single : A 41 SER OG : rot 52:sc= 0.632 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 27.843 -44.448 11.607 1.00 0.00 N ATOM 2 CA TYR A 1 28.634 -44.053 10.430 1.00 0.00 C ATOM 3 C TYR A 1 29.637 -42.972 10.824 1.00 0.00 C ATOM 4 O TYR A 1 29.304 -41.790 10.903 1.00 0.00 O ATOM 5 CB TYR A 1 27.692 -43.552 9.330 1.00 0.00 C ATOM 6 CG TYR A 1 28.456 -42.913 8.183 1.00 0.00 C ATOM 7 CD1 TYR A 1 29.173 -43.673 7.327 1.00 0.00 C ATOM 8 CD2 TYR A 1 28.475 -41.566 8.064 1.00 0.00 C ATOM 9 CE1 TYR A 1 29.913 -43.088 6.362 1.00 0.00 C ATOM 10 CE2 TYR A 1 29.219 -40.982 7.101 1.00 0.00 C ATOM 11 CZ TYR A 1 29.938 -41.742 6.249 1.00 0.00 C ATOM 12 OH TYR A 1 30.706 -41.150 5.282 1.00 0.00 O ATOM 0 H1 TYR A 1 27.233 -45.253 11.361 1.00 0.00 H new ATOM 0 H2 TYR A 1 28.483 -44.722 12.379 1.00 0.00 H new ATOM 0 H3 TYR A 1 27.254 -43.648 11.914 1.00 0.00 H new ATOM 0 HA TYR A 1 29.188 -44.911 10.050 1.00 0.00 H new ATOM 0 HB2 TYR A 1 27.098 -44.385 8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 1 26.994 -42.828 9.751 1.00 0.00 H new ATOM 0 HD1 TYR A 1 29.154 -44.749 7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 1 27.894 -40.957 8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 1 30.486 -43.697 5.679 1.00 0.00 H new ATOM 0 HE2 TYR A 1 29.239 -39.906 7.012 1.00 0.00 H new ATOM 0 HH TYR A 1 30.609 -40.176 5.338 1.00 0.00 H new ATOM 24 N LYS A 2 30.884 -43.376 11.021 1.00 0.00 N ATOM 25 CA LYS A 2 31.954 -42.386 11.186 1.00 0.00 C ATOM 26 C LYS A 2 33.312 -43.090 11.256 1.00 0.00 C ATOM 27 O LYS A 2 34.145 -42.957 10.359 1.00 0.00 O ATOM 28 CB LYS A 2 31.724 -41.514 12.431 1.00 0.00 C ATOM 29 CG LYS A 2 32.732 -40.365 12.521 1.00 0.00 C ATOM 30 CD LYS A 2 32.538 -39.346 11.394 1.00 0.00 C ATOM 31 CE LYS A 2 33.526 -38.184 11.505 1.00 0.00 C ATOM 32 NZ LYS A 2 33.286 -37.413 12.739 1.00 0.00 N ATOM 0 H LYS A 2 31.181 -44.351 11.071 1.00 0.00 H new ATOM 0 HA LYS A 2 31.945 -41.725 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.713 -41.108 12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.798 -42.132 13.325 1.00 0.00 H new ATOM 0 HG2 LYS A 2 32.628 -39.865 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 2 33.745 -40.766 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 2 32.665 -39.840 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 2 31.519 -38.961 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 2 34.547 -38.566 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 2 33.427 -37.532 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 33.779 -36.499 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 32.265 -37.249 12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 33.644 -37.947 13.557 1.00 0.00 H new ATOM 46 N GLN A 3 33.564 -43.808 12.344 1.00 0.00 N ATOM 47 CA GLN A 3 34.899 -44.379 12.551 1.00 0.00 C ATOM 48 C GLN A 3 35.134 -45.651 11.734 1.00 0.00 C ATOM 49 O GLN A 3 36.159 -45.784 11.065 1.00 0.00 O ATOM 50 CB GLN A 3 35.096 -44.630 14.047 1.00 0.00 C ATOM 51 CG GLN A 3 36.540 -45.037 14.353 1.00 0.00 C ATOM 52 CD GLN A 3 36.793 -45.128 15.851 1.00 0.00 C ATOM 53 OE1 GLN A 3 37.358 -44.226 16.465 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.382 -46.223 16.462 1.00 0.00 N ATOM 0 H GLN A 3 32.887 -44.008 13.080 1.00 0.00 H new ATOM 0 HA GLN A 3 35.640 -43.664 12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.843 -43.729 14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 3 34.416 -45.414 14.380 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.753 -46.000 13.889 1.00 0.00 H new ATOM 0 HG3 GLN A 3 37.224 -44.312 13.912 1.00 0.00 H new ATOM 0 HE21 GLN A 3 35.915 -46.958 15.931 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.531 -46.334 17.465 1.00 0.00 H new ATOM 63 N CYS A 4 34.222 -46.612 11.806 1.00 0.00 N ATOM 64 CA CYS A 4 34.494 -47.904 11.163 1.00 0.00 C ATOM 65 C CYS A 4 34.456 -47.821 9.635 1.00 0.00 C ATOM 66 O CYS A 4 35.192 -48.527 8.946 1.00 0.00 O ATOM 67 CB CYS A 4 33.515 -48.967 11.662 1.00 0.00 C ATOM 68 SG CYS A 4 34.146 -50.590 11.199 1.00 0.00 S ATOM 0 H CYS A 4 33.322 -46.536 12.280 1.00 0.00 H new ATOM 0 HA CYS A 4 35.508 -48.189 11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.402 -48.899 12.744 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.528 -48.806 11.228 1.00 0.00 H new ATOM 73 N HIS A 5 33.608 -46.959 9.089 1.00 0.00 N ATOM 74 CA HIS A 5 33.551 -46.818 7.630 1.00 0.00 C ATOM 75 C HIS A 5 34.834 -46.202 7.060 1.00 0.00 C ATOM 76 O HIS A 5 35.279 -46.569 5.973 1.00 0.00 O ATOM 77 CB HIS A 5 32.334 -45.964 7.266 1.00 0.00 C ATOM 78 CG HIS A 5 32.061 -46.002 5.779 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.639 -45.160 4.846 1.00 0.00 N ATOM 80 CD2 HIS A 5 31.214 -46.926 5.151 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.085 -45.666 3.699 1.00 0.00 C ATOM 82 NE2 HIS A 5 31.214 -46.721 3.781 1.00 0.00 N ATOM 0 H HIS A 5 32.966 -46.361 9.610 1.00 0.00 H new ATOM 0 HA HIS A 5 33.458 -47.810 7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.459 -46.324 7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.502 -44.934 7.581 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.644 -47.688 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.333 -45.237 2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 5 30.710 -47.214 3.044 1.00 0.00 H new ATOM 91 N LYS A 6 35.436 -45.262 7.779 1.00 0.00 N ATOM 92 CA LYS A 6 36.680 -44.652 7.293 1.00 0.00 C ATOM 93 C LYS A 6 37.818 -45.676 7.218 1.00 0.00 C ATOM 94 O LYS A 6 38.579 -45.703 6.251 1.00 0.00 O ATOM 95 CB LYS A 6 37.053 -43.490 8.218 1.00 0.00 C ATOM 96 CG LYS A 6 38.260 -42.717 7.684 1.00 0.00 C ATOM 97 CD LYS A 6 38.635 -41.579 8.632 1.00 0.00 C ATOM 98 CE LYS A 6 39.854 -40.821 8.107 1.00 0.00 C ATOM 99 NZ LYS A 6 40.199 -39.730 9.033 1.00 0.00 N ATOM 0 H LYS A 6 35.100 -44.910 8.675 1.00 0.00 H new ATOM 0 HA LYS A 6 36.521 -44.281 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 6 36.203 -42.816 8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 6 37.276 -43.873 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 6 39.107 -43.392 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 6 38.033 -42.315 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.793 -40.895 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 6 38.848 -41.979 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 6 40.699 -41.501 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 6 39.644 -40.417 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 41.029 -39.217 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 39.395 -39.075 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 40.417 -40.126 9.970 1.00 0.00 H new ATOM 113 N LYS A 7 37.946 -46.525 8.230 1.00 0.00 N ATOM 114 CA LYS A 7 38.991 -47.555 8.188 1.00 0.00 C ATOM 115 C LYS A 7 38.648 -48.655 7.181 1.00 0.00 C ATOM 116 O LYS A 7 39.496 -49.077 6.394 1.00 0.00 O ATOM 117 CB LYS A 7 39.173 -48.149 9.586 1.00 0.00 C ATOM 118 CG LYS A 7 39.691 -47.102 10.574 1.00 0.00 C ATOM 119 CD LYS A 7 39.957 -47.736 11.939 1.00 0.00 C ATOM 120 CE LYS A 7 40.437 -46.701 12.958 1.00 0.00 C ATOM 121 NZ LYS A 7 41.769 -46.192 12.586 1.00 0.00 N ATOM 0 H LYS A 7 37.363 -46.529 9.067 1.00 0.00 H new ATOM 0 HA LYS A 7 39.923 -47.092 7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.222 -48.547 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.871 -48.985 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.608 -46.654 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.962 -46.298 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.046 -48.211 12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.706 -48.521 11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.727 -45.876 13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.477 -47.150 13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.161 -45.637 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 42.401 -46.992 12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.687 -45.587 11.744 1.00 0.00 H new ATOM 135 N GLY A 8 37.410 -49.132 7.200 1.00 0.00 N ATOM 136 CA GLY A 8 37.011 -50.174 6.249 1.00 0.00 C ATOM 137 C GLY A 8 36.461 -51.389 6.985 1.00 0.00 C ATOM 138 O GLY A 8 37.137 -52.406 7.133 1.00 0.00 O ATOM 0 H GLY A 8 36.679 -48.828 7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.256 -49.782 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.867 -50.467 5.642 1.00 0.00 H new ATOM 142 N GLY A 9 35.221 -51.295 7.442 1.00 0.00 N ATOM 143 CA GLY A 9 34.626 -52.438 8.138 1.00 0.00 C ATOM 144 C GLY A 9 33.107 -52.330 8.214 1.00 0.00 C ATOM 145 O GLY A 9 32.500 -51.333 7.821 1.00 0.00 O ATOM 0 H GLY A 9 34.622 -50.474 7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.899 -53.359 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.036 -52.503 9.146 1.00 0.00 H new ATOM 149 N HIS A 10 32.485 -53.382 8.725 1.00 0.00 N ATOM 150 CA HIS A 10 31.021 -53.396 8.816 1.00 0.00 C ATOM 151 C HIS A 10 30.593 -54.055 10.130 1.00 0.00 C ATOM 152 O HIS A 10 31.306 -54.868 10.718 1.00 0.00 O ATOM 153 CB HIS A 10 30.466 -54.136 7.593 1.00 0.00 C ATOM 154 CG HIS A 10 28.951 -54.164 7.566 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.184 -55.236 7.984 1.00 0.00 N ATOM 156 CD2 HIS A 10 28.128 -53.107 7.143 1.00 0.00 C ATOM 157 CE1 HIS A 10 26.930 -54.721 7.788 1.00 0.00 C ATOM 158 NE2 HIS A 10 26.794 -53.455 7.281 1.00 0.00 N ATOM 0 H HIS A 10 32.950 -54.219 9.076 1.00 0.00 H new ATOM 0 HA HIS A 10 30.621 -52.382 8.818 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.833 -53.656 6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.845 -55.158 7.589 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.470 -56.149 8.337 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.484 -52.160 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.056 -55.307 8.031 1.00 0.00 H new ATOM 167 N CYS A 11 29.407 -53.688 10.593 1.00 0.00 N ATOM 168 CA CYS A 11 28.927 -54.175 11.889 1.00 0.00 C ATOM 169 C CYS A 11 28.385 -55.602 11.783 1.00 0.00 C ATOM 170 O CYS A 11 27.485 -55.900 10.998 1.00 0.00 O ATOM 171 CB CYS A 11 27.832 -53.204 12.329 1.00 0.00 C ATOM 172 SG CYS A 11 27.147 -53.653 13.933 1.00 0.00 S ATOM 0 H CYS A 11 28.764 -53.065 10.104 1.00 0.00 H new ATOM 0 HA CYS A 11 29.738 -54.213 12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 11 28.239 -52.194 12.377 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.036 -53.191 11.584 1.00 0.00 H new ATOM 177 N PHE A 12 28.944 -56.489 12.595 1.00 0.00 N ATOM 178 CA PHE A 12 28.478 -57.882 12.612 1.00 0.00 C ATOM 179 C PHE A 12 28.367 -58.350 14.067 1.00 0.00 C ATOM 180 O PHE A 12 29.017 -57.792 14.951 1.00 0.00 O ATOM 181 CB PHE A 12 29.489 -58.787 11.899 1.00 0.00 C ATOM 182 CG PHE A 12 29.663 -58.474 10.426 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.739 -58.875 9.525 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.781 -57.843 10.008 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.935 -58.643 8.209 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.980 -57.616 8.692 1.00 0.00 C ATOM 187 CZ PHE A 12 30.056 -58.017 7.792 1.00 0.00 C ATOM 0 H PHE A 12 29.706 -56.282 13.241 1.00 0.00 H new ATOM 0 HA PHE A 12 27.513 -57.938 12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.455 -58.698 12.396 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.171 -59.824 12.005 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.844 -59.381 9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.518 -57.519 10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.194 -58.959 7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.877 -57.114 8.359 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.214 -57.837 6.739 1.00 0.00 H new ATOM 197 N PRO A 13 27.593 -59.394 14.361 1.00 0.00 N ATOM 198 CA PRO A 13 27.497 -59.924 15.723 1.00 0.00 C ATOM 199 C PRO A 13 28.860 -60.303 16.306 1.00 0.00 C ATOM 200 O PRO A 13 29.781 -60.697 15.590 1.00 0.00 O ATOM 201 CB PRO A 13 26.612 -61.155 15.519 1.00 0.00 C ATOM 202 CG PRO A 13 25.801 -60.856 14.258 1.00 0.00 C ATOM 203 CD PRO A 13 26.763 -60.073 13.368 1.00 0.00 C ATOM 0 HA PRO A 13 27.102 -59.201 16.437 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.212 -62.057 15.397 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.961 -61.319 16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.467 -61.773 13.773 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.908 -60.274 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.349 -60.727 12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.241 -59.369 12.720 1.00 0.00 H new ATOM 211 N LYS A 14 28.999 -60.179 17.618 1.00 0.00 N ATOM 212 CA LYS A 14 30.298 -60.455 18.240 1.00 0.00 C ATOM 213 C LYS A 14 30.610 -61.955 18.272 1.00 0.00 C ATOM 214 O LYS A 14 31.681 -62.388 17.847 1.00 0.00 O ATOM 215 CB LYS A 14 30.281 -59.854 19.647 1.00 0.00 C ATOM 216 CG LYS A 14 31.606 -60.077 20.374 1.00 0.00 C ATOM 217 CD LYS A 14 31.548 -59.480 21.779 1.00 0.00 C ATOM 218 CE LYS A 14 32.818 -59.796 22.565 1.00 0.00 C ATOM 219 NZ LYS A 14 33.985 -59.122 21.970 1.00 0.00 N ATOM 0 H LYS A 14 28.258 -59.899 18.260 1.00 0.00 H new ATOM 0 HA LYS A 14 31.092 -59.999 17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.076 -58.785 19.584 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.470 -60.300 20.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 31.821 -61.144 20.434 1.00 0.00 H new ATOM 0 HG3 LYS A 14 32.419 -59.619 19.811 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.417 -58.400 21.713 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.681 -59.874 22.309 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.698 -59.478 23.601 1.00 0.00 H new ATOM 0 HE3 LYS A 14 32.983 -60.873 22.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 34.809 -59.239 22.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 34.192 -59.541 21.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.779 -58.109 21.855 1.00 0.00 H new ATOM 233 N GLU A 15 29.686 -62.750 18.790 1.00 0.00 N ATOM 234 CA GLU A 15 29.936 -64.193 18.920 1.00 0.00 C ATOM 235 C GLU A 15 30.097 -64.923 17.580 1.00 0.00 C ATOM 236 O GLU A 15 30.753 -65.962 17.505 1.00 0.00 O ATOM 237 CB GLU A 15 28.796 -64.805 19.740 1.00 0.00 C ATOM 238 CG GLU A 15 27.418 -64.621 19.094 1.00 0.00 C ATOM 239 CD GLU A 15 26.315 -65.069 20.037 1.00 0.00 C ATOM 240 OE1 GLU A 15 25.899 -64.266 20.900 1.00 0.00 O ATOM 241 OE2 GLU A 15 25.855 -66.225 19.920 1.00 0.00 O ATOM 0 H GLU A 15 28.774 -62.438 19.123 1.00 0.00 H new ATOM 0 HA GLU A 15 30.894 -64.319 19.425 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.987 -65.870 19.876 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.788 -64.353 20.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.273 -63.574 18.829 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.366 -65.194 18.168 1.00 0.00 H new ATOM 248 N LYS A 16 29.505 -64.402 16.514 1.00 0.00 N ATOM 249 CA LYS A 16 29.614 -65.080 15.217 1.00 0.00 C ATOM 250 C LYS A 16 30.987 -64.830 14.589 1.00 0.00 C ATOM 251 O LYS A 16 31.596 -63.773 14.753 1.00 0.00 O ATOM 252 CB LYS A 16 28.509 -64.580 14.280 1.00 0.00 C ATOM 253 CG LYS A 16 27.098 -64.848 14.820 1.00 0.00 C ATOM 254 CD LYS A 16 26.812 -66.337 15.050 1.00 0.00 C ATOM 255 CE LYS A 16 26.894 -67.167 13.766 1.00 0.00 C ATOM 256 NZ LYS A 16 25.862 -66.738 12.807 1.00 0.00 N ATOM 0 H LYS A 16 28.960 -63.540 16.511 1.00 0.00 H new ATOM 0 HA LYS A 16 29.499 -66.153 15.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.633 -63.509 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.618 -65.062 13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.967 -64.310 15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.366 -64.448 14.119 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.523 -66.730 15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.819 -66.448 15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 16 27.882 -67.059 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.764 -68.224 14.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.819 -67.414 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.938 -66.702 13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.099 -65.794 12.441 1.00 0.00 H new ATOM 270 N ILE A 17 31.480 -65.821 13.856 1.00 0.00 N ATOM 271 CA ILE A 17 32.818 -65.702 13.266 1.00 0.00 C ATOM 272 C ILE A 17 32.823 -64.687 12.125 1.00 0.00 C ATOM 273 O ILE A 17 31.966 -64.689 11.241 1.00 0.00 O ATOM 274 CB ILE A 17 33.271 -67.076 12.744 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.445 -68.042 13.923 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.578 -66.965 11.945 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.745 -69.468 13.463 1.00 0.00 C ATOM 0 H ILE A 17 30.994 -66.695 13.656 1.00 0.00 H new ATOM 0 HA ILE A 17 33.508 -65.354 14.035 1.00 0.00 H new ATOM 0 HB ILE A 17 32.504 -67.460 12.071 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.255 -67.690 14.562 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.538 -68.041 14.528 1.00 0.00 H new ATOM 0 HG21 ILE A 17 34.872 -67.953 11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.428 -66.302 11.093 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.363 -66.561 12.585 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.860 -70.114 14.333 1.00 0.00 H new ATOM 0 HD12 ILE A 17 32.923 -69.832 12.847 1.00 0.00 H new ATOM 0 HD13 ILE A 17 34.666 -69.476 12.881 1.00 0.00 H new ATOM 289 N CYS A 18 33.847 -63.849 12.126 1.00 0.00 N ATOM 290 CA CYS A 18 34.093 -62.999 10.961 1.00 0.00 C ATOM 291 C CYS A 18 35.115 -63.719 10.086 1.00 0.00 C ATOM 292 O CYS A 18 36.243 -63.977 10.505 1.00 0.00 O ATOM 293 CB CYS A 18 34.639 -61.656 11.433 1.00 0.00 C ATOM 294 SG CYS A 18 34.935 -60.598 10.011 1.00 0.00 S ATOM 0 H CYS A 18 34.508 -63.736 12.895 1.00 0.00 H new ATOM 0 HA CYS A 18 33.179 -62.816 10.395 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.930 -61.181 12.112 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.565 -61.803 11.990 1.00 0.00 H new ATOM 299 N LEU A 19 34.710 -64.089 8.882 1.00 0.00 N ATOM 300 CA LEU A 19 35.580 -64.927 8.052 1.00 0.00 C ATOM 301 C LEU A 19 35.795 -64.209 6.712 1.00 0.00 C ATOM 302 O LEU A 19 34.835 -63.975 5.978 1.00 0.00 O ATOM 303 CB LEU A 19 34.862 -66.275 7.891 1.00 0.00 C ATOM 304 CG LEU A 19 35.718 -67.434 7.361 1.00 0.00 C ATOM 305 CD1 LEU A 19 36.319 -67.150 5.985 1.00 0.00 C ATOM 306 CD2 LEU A 19 36.822 -67.785 8.358 1.00 0.00 C ATOM 0 H LEU A 19 33.816 -63.836 8.462 1.00 0.00 H new ATOM 0 HA LEU A 19 36.563 -65.099 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.453 -66.564 8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.017 -66.136 7.217 1.00 0.00 H new ATOM 0 HG LEU A 19 35.049 -68.287 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.913 -68.006 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.518 -66.975 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.955 -66.267 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 19 37.418 -68.609 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.461 -66.916 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.375 -68.081 9.307 1.00 0.00 H new ATOM 318 N PRO A 20 37.022 -63.827 6.355 1.00 0.00 N ATOM 319 CA PRO A 20 38.226 -64.168 7.120 1.00 0.00 C ATOM 320 C PRO A 20 38.388 -63.280 8.360 1.00 0.00 C ATOM 321 O PRO A 20 37.812 -62.194 8.444 1.00 0.00 O ATOM 322 CB PRO A 20 39.325 -63.909 6.087 1.00 0.00 C ATOM 323 CG PRO A 20 38.750 -62.825 5.176 1.00 0.00 C ATOM 324 CD PRO A 20 37.269 -63.177 5.071 1.00 0.00 C ATOM 0 HA PRO A 20 38.223 -65.182 7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 20 40.247 -63.578 6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 20 39.563 -64.813 5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 20 38.895 -61.831 5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 20 39.231 -62.829 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 20 36.648 -62.292 4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 20 37.066 -63.841 4.231 1.00 0.00 H new ATOM 332 N PRO A 21 39.161 -63.724 9.349 1.00 0.00 N ATOM 333 CA PRO A 21 39.196 -63.057 10.652 1.00 0.00 C ATOM 334 C PRO A 21 40.343 -62.046 10.736 1.00 0.00 C ATOM 335 O PRO A 21 41.205 -62.109 11.613 1.00 0.00 O ATOM 336 CB PRO A 21 39.469 -64.247 11.566 1.00 0.00 C ATOM 337 CG PRO A 21 40.372 -65.146 10.724 1.00 0.00 C ATOM 338 CD PRO A 21 39.777 -65.050 9.323 1.00 0.00 C ATOM 0 HA PRO A 21 38.298 -62.485 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.959 -63.939 12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.547 -64.756 11.848 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.407 -64.804 10.743 1.00 0.00 H new ATOM 0 HG3 PRO A 21 40.368 -66.172 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 21 40.540 -65.131 8.549 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.046 -65.837 9.134 1.00 0.00 H new ATOM 346 N SER A 22 40.365 -61.117 9.799 1.00 0.00 N ATOM 347 CA SER A 22 41.508 -60.199 9.709 1.00 0.00 C ATOM 348 C SER A 22 41.581 -59.242 10.904 1.00 0.00 C ATOM 349 O SER A 22 42.539 -59.286 11.676 1.00 0.00 O ATOM 350 CB SER A 22 41.464 -59.450 8.375 1.00 0.00 C ATOM 351 OG SER A 22 40.270 -58.686 8.270 1.00 0.00 O ATOM 0 H SER A 22 39.633 -60.971 9.104 1.00 0.00 H new ATOM 0 HA SER A 22 42.424 -60.789 9.746 1.00 0.00 H new ATOM 0 HB2 SER A 22 42.331 -58.794 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 22 41.521 -60.161 7.551 1.00 0.00 H new ATOM 0 HG SER A 22 40.344 -58.065 7.515 1.00 0.00 H new ATOM 357 N SER A 23 40.594 -58.370 11.077 1.00 0.00 N ATOM 358 CA SER A 23 40.650 -57.435 12.206 1.00 0.00 C ATOM 359 C SER A 23 39.251 -57.191 12.767 1.00 0.00 C ATOM 360 O SER A 23 38.398 -56.574 12.129 1.00 0.00 O ATOM 361 CB SER A 23 41.269 -56.108 11.759 1.00 0.00 C ATOM 362 OG SER A 23 42.604 -56.312 11.315 1.00 0.00 O ATOM 0 H SER A 23 39.773 -58.287 10.478 1.00 0.00 H new ATOM 0 HA SER A 23 41.270 -57.874 12.988 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.674 -55.673 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.258 -55.397 12.585 1.00 0.00 H new ATOM 0 HG SER A 23 42.988 -55.457 11.030 1.00 0.00 H new ATOM 368 N ASP A 24 39.024 -57.656 13.988 1.00 0.00 N ATOM 369 CA ASP A 24 37.746 -57.383 14.655 1.00 0.00 C ATOM 370 C ASP A 24 37.915 -56.203 15.608 1.00 0.00 C ATOM 371 O ASP A 24 38.686 -56.242 16.566 1.00 0.00 O ATOM 372 CB ASP A 24 37.300 -58.623 15.434 1.00 0.00 C ATOM 373 CG ASP A 24 36.858 -59.741 14.502 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.888 -59.538 13.741 1.00 0.00 O ATOM 375 OD2 ASP A 24 37.471 -60.829 14.529 1.00 0.00 O ATOM 0 H ASP A 24 39.686 -58.211 14.531 1.00 0.00 H new ATOM 0 HA ASP A 24 36.989 -57.138 13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.120 -58.974 16.061 1.00 0.00 H new ATOM 0 HB3 ASP A 24 36.479 -58.359 16.101 1.00 0.00 H new ATOM 380 N PHE A 25 37.170 -55.143 15.339 1.00 0.00 N ATOM 381 CA PHE A 25 37.232 -53.959 16.200 1.00 0.00 C ATOM 382 C PHE A 25 36.156 -54.055 17.283 1.00 0.00 C ATOM 383 O PHE A 25 35.232 -54.865 17.206 1.00 0.00 O ATOM 384 CB PHE A 25 36.996 -52.711 15.345 1.00 0.00 C ATOM 385 CG PHE A 25 37.999 -52.567 14.214 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.272 -52.195 14.477 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.617 -52.796 12.937 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.161 -52.063 13.470 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.506 -52.661 11.930 1.00 0.00 C ATOM 390 CZ PHE A 25 39.779 -52.298 12.196 1.00 0.00 C ATOM 0 H PHE A 25 36.527 -55.071 14.551 1.00 0.00 H new ATOM 0 HA PHE A 25 38.211 -53.898 16.676 1.00 0.00 H new ATOM 0 HB2 PHE A 25 35.990 -52.748 14.928 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.045 -51.827 15.981 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.578 -52.003 15.495 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.599 -53.087 12.723 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.178 -51.769 13.683 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.199 -52.844 10.911 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.491 -52.196 11.391 1.00 0.00 H new ATOM 400 N GLY A 26 36.264 -53.217 18.306 1.00 0.00 N ATOM 401 CA GLY A 26 35.302 -53.294 19.410 1.00 0.00 C ATOM 402 C GLY A 26 33.970 -52.645 19.048 1.00 0.00 C ATOM 403 O GLY A 26 33.416 -52.864 17.970 1.00 0.00 O ATOM 0 H GLY A 26 36.981 -52.497 18.400 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.137 -54.338 19.676 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.718 -52.803 20.290 1.00 0.00 H new ATOM 407 N LYS A 27 33.438 -51.841 19.957 1.00 0.00 N ATOM 408 CA LYS A 27 32.171 -51.163 19.665 1.00 0.00 C ATOM 409 C LYS A 27 32.447 -49.882 18.882 1.00 0.00 C ATOM 410 O LYS A 27 32.641 -48.804 19.443 1.00 0.00 O ATOM 411 CB LYS A 27 31.427 -50.840 20.964 1.00 0.00 C ATOM 412 CG LYS A 27 30.884 -52.104 21.636 1.00 0.00 C ATOM 413 CD LYS A 27 30.028 -51.781 22.866 1.00 0.00 C ATOM 414 CE LYS A 27 28.851 -50.857 22.547 1.00 0.00 C ATOM 415 NZ LYS A 27 28.033 -51.428 21.465 1.00 0.00 N ATOM 0 H LYS A 27 33.841 -51.643 20.873 1.00 0.00 H new ATOM 0 HA LYS A 27 31.544 -51.823 19.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.099 -50.324 21.649 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.603 -50.158 20.752 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.288 -52.668 20.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.716 -52.743 21.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.649 -52.710 23.292 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.655 -51.314 23.626 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.240 -50.715 23.438 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.220 -49.874 22.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.151 -50.884 21.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.562 -51.385 20.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.807 -52.419 21.686 1.00 0.00 H new ATOM 429 N MET A 28 32.454 -50.007 17.563 1.00 0.00 N ATOM 430 CA MET A 28 32.675 -48.835 16.715 1.00 0.00 C ATOM 431 C MET A 28 31.301 -48.292 16.303 1.00 0.00 C ATOM 432 O MET A 28 30.504 -47.884 17.147 1.00 0.00 O ATOM 433 CB MET A 28 33.524 -49.275 15.514 1.00 0.00 C ATOM 434 CG MET A 28 34.908 -49.786 15.907 1.00 0.00 C ATOM 435 SD MET A 28 35.758 -50.342 14.422 1.00 0.00 S ATOM 436 CE MET A 28 36.401 -48.767 13.854 1.00 0.00 C ATOM 0 H MET A 28 32.313 -50.884 17.062 1.00 0.00 H new ATOM 0 HA MET A 28 33.212 -48.037 17.228 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.995 -50.059 14.972 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.636 -48.434 14.829 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.478 -48.996 16.396 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.820 -50.604 16.621 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.949 -48.912 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.575 -48.076 13.685 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.071 -48.354 14.608 1.00 0.00 H new ATOM 446 N ASP A 29 30.993 -48.322 15.013 1.00 0.00 N ATOM 447 CA ASP A 29 29.631 -47.997 14.576 1.00 0.00 C ATOM 448 C ASP A 29 28.836 -49.303 14.527 1.00 0.00 C ATOM 449 O ASP A 29 28.609 -49.874 13.459 1.00 0.00 O ATOM 450 CB ASP A 29 29.685 -47.357 13.186 1.00 0.00 C ATOM 451 CG ASP A 29 30.401 -46.014 13.192 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.733 -44.981 13.412 1.00 0.00 O ATOM 453 OD2 ASP A 29 31.629 -45.984 12.961 1.00 0.00 O ATOM 0 H ASP A 29 31.644 -48.560 14.265 1.00 0.00 H new ATOM 0 HA ASP A 29 29.157 -47.295 15.262 1.00 0.00 H new ATOM 0 HB2 ASP A 29 30.192 -48.033 12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 29 28.670 -47.223 12.811 1.00 0.00 H new ATOM 458 N CYS A 30 28.447 -49.818 15.687 1.00 0.00 N ATOM 459 CA CYS A 30 27.880 -51.170 15.712 1.00 0.00 C ATOM 460 C CYS A 30 26.834 -51.305 16.820 1.00 0.00 C ATOM 461 O CYS A 30 26.685 -50.443 17.687 1.00 0.00 O ATOM 462 CB CYS A 30 29.043 -52.150 15.896 1.00 0.00 C ATOM 463 SG CYS A 30 28.605 -53.790 15.295 1.00 0.00 S ATOM 0 H CYS A 30 28.507 -49.348 16.590 1.00 0.00 H new ATOM 0 HA CYS A 30 27.359 -51.389 14.780 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.919 -51.785 15.361 1.00 0.00 H new ATOM 0 HB3 CYS A 30 29.313 -52.205 16.950 1.00 0.00 H new ATOM 468 N ARG A 31 26.085 -52.398 16.784 1.00 0.00 N ATOM 469 CA ARG A 31 24.994 -52.579 17.748 1.00 0.00 C ATOM 470 C ARG A 31 25.552 -52.913 19.141 1.00 0.00 C ATOM 471 O ARG A 31 26.763 -52.999 19.346 1.00 0.00 O ATOM 472 CB ARG A 31 24.091 -53.673 17.166 1.00 0.00 C ATOM 473 CG ARG A 31 22.708 -53.736 17.814 1.00 0.00 C ATOM 474 CD ARG A 31 21.827 -54.744 17.077 1.00 0.00 C ATOM 475 NE ARG A 31 20.507 -54.821 17.711 1.00 0.00 N ATOM 476 CZ ARG A 31 19.596 -55.674 17.262 1.00 0.00 C ATOM 477 NH1 ARG A 31 19.857 -56.485 16.253 1.00 0.00 N ATOM 478 NH2 ARG A 31 18.408 -55.712 17.832 1.00 0.00 N ATOM 0 H ARG A 31 26.203 -53.160 16.117 1.00 0.00 H new ATOM 0 HA ARG A 31 24.411 -51.670 17.895 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.974 -53.504 16.096 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.582 -54.639 17.284 1.00 0.00 H new ATOM 0 HG2 ARG A 31 22.802 -54.021 18.862 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.243 -52.751 17.792 1.00 0.00 H new ATOM 0 HD2 ARG A 31 21.720 -54.450 16.033 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.300 -55.726 17.085 1.00 0.00 H new ATOM 0 HE ARG A 31 20.288 -54.215 18.502 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.773 -56.463 15.804 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.143 -57.134 15.922 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.196 -55.089 18.611 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.701 -56.365 17.494 1.00 0.00 H new ATOM 492 N TRP A 32 24.670 -53.064 20.122 1.00 0.00 N ATOM 493 CA TRP A 32 25.120 -53.213 21.513 1.00 0.00 C ATOM 494 C TRP A 32 26.102 -54.375 21.699 1.00 0.00 C ATOM 495 O TRP A 32 27.247 -54.167 22.101 1.00 0.00 O ATOM 496 CB TRP A 32 23.870 -53.340 22.392 1.00 0.00 C ATOM 497 CG TRP A 32 24.186 -53.434 23.871 1.00 0.00 C ATOM 498 CD1 TRP A 32 23.847 -54.494 24.717 1.00 0.00 C ATOM 499 CD2 TRP A 32 24.809 -52.504 24.666 1.00 0.00 C ATOM 500 NE1 TRP A 32 24.267 -54.235 26.030 1.00 0.00 N ATOM 501 CE2 TRP A 32 24.859 -52.985 25.944 1.00 0.00 C ATOM 502 CE3 TRP A 32 25.304 -51.292 24.350 1.00 0.00 C ATOM 503 CZ2 TRP A 32 25.417 -52.257 26.932 1.00 0.00 C ATOM 504 CZ3 TRP A 32 25.867 -50.561 25.344 1.00 0.00 C ATOM 505 CH2 TRP A 32 25.925 -51.039 26.618 1.00 0.00 C ATOM 0 H TRP A 32 23.659 -53.087 19.992 1.00 0.00 H new ATOM 0 HA TRP A 32 25.691 -52.334 21.812 1.00 0.00 H new ATOM 0 HB2 TRP A 32 23.224 -52.479 22.219 1.00 0.00 H new ATOM 0 HB3 TRP A 32 23.310 -54.225 22.090 1.00 0.00 H new ATOM 0 HD1 TRP A 32 23.332 -55.390 24.403 1.00 0.00 H new ATOM 0 HE1 TRP A 32 24.162 -54.827 26.854 1.00 0.00 H new ATOM 0 HE3 TRP A 32 25.254 -50.915 23.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 25.458 -52.632 27.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 26.275 -49.586 25.122 1.00 0.00 H new ATOM 0 HH2 TRP A 32 26.383 -50.439 27.390 1.00 0.00 H new ATOM 516 N ARG A 33 25.677 -55.593 21.400 1.00 0.00 N ATOM 517 CA ARG A 33 26.593 -56.736 21.536 1.00 0.00 C ATOM 518 C ARG A 33 27.284 -57.094 20.212 1.00 0.00 C ATOM 519 O ARG A 33 27.706 -58.234 20.018 1.00 0.00 O ATOM 520 CB ARG A 33 25.806 -57.956 22.028 1.00 0.00 C ATOM 521 CG ARG A 33 25.259 -57.766 23.443 1.00 0.00 C ATOM 522 CD ARG A 33 24.541 -59.034 23.904 1.00 0.00 C ATOM 523 NE ARG A 33 24.038 -58.850 25.268 1.00 0.00 N ATOM 524 CZ ARG A 33 23.445 -59.849 25.908 1.00 0.00 C ATOM 525 NH1 ARG A 33 23.292 -61.031 25.338 1.00 0.00 N ATOM 526 NH2 ARG A 33 23.001 -59.659 27.134 1.00 0.00 N ATOM 0 H ARG A 33 24.739 -55.821 21.072 1.00 0.00 H new ATOM 0 HA ARG A 33 27.366 -56.452 22.250 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.979 -58.151 21.345 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.451 -58.834 22.006 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.074 -57.531 24.128 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.571 -56.921 23.465 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.716 -59.261 23.230 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.224 -59.883 23.870 1.00 0.00 H new ATOM 0 HE ARG A 33 24.145 -57.946 25.729 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.633 -61.188 24.389 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.833 -61.787 25.847 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.115 -58.750 27.582 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.544 -60.421 27.635 1.00 0.00 H new ATOM 540 N TRP A 34 27.404 -56.151 19.286 1.00 0.00 N ATOM 541 CA TRP A 34 28.009 -56.477 17.987 1.00 0.00 C ATOM 542 C TRP A 34 29.355 -55.759 17.840 1.00 0.00 C ATOM 543 O TRP A 34 29.679 -54.819 18.568 1.00 0.00 O ATOM 544 CB TRP A 34 27.056 -56.073 16.853 1.00 0.00 C ATOM 545 CG TRP A 34 25.799 -56.924 16.737 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.256 -57.817 17.673 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.963 -56.984 15.648 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.090 -58.414 17.176 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.954 -57.865 15.912 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.047 -56.346 14.463 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.005 -58.124 14.990 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.092 -56.606 13.537 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.083 -57.483 13.797 1.00 0.00 C ATOM 0 H TRP A 34 27.103 -55.183 19.396 1.00 0.00 H new ATOM 0 HA TRP A 34 28.183 -57.552 17.931 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.761 -55.034 16.999 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.598 -56.121 15.908 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.680 -58.017 18.646 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.484 -59.093 17.637 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.848 -55.651 14.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.206 -58.821 15.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.132 -56.110 12.578 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.334 -57.671 13.042 1.00 0.00 H new ATOM 564 N LYS A 35 30.153 -56.223 16.887 1.00 0.00 N ATOM 565 CA LYS A 35 31.485 -55.641 16.671 1.00 0.00 C ATOM 566 C LYS A 35 31.636 -55.207 15.210 1.00 0.00 C ATOM 567 O LYS A 35 30.828 -55.567 14.354 1.00 0.00 O ATOM 568 CB LYS A 35 32.543 -56.695 17.024 1.00 0.00 C ATOM 569 CG LYS A 35 32.411 -57.970 16.184 1.00 0.00 C ATOM 570 CD LYS A 35 33.454 -59.010 16.601 1.00 0.00 C ATOM 571 CE LYS A 35 33.268 -60.336 15.859 1.00 0.00 C ATOM 572 NZ LYS A 35 33.494 -60.165 14.415 1.00 0.00 N ATOM 0 H LYS A 35 29.913 -56.988 16.257 1.00 0.00 H new ATOM 0 HA LYS A 35 31.615 -54.763 17.304 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.536 -56.270 16.878 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.457 -56.950 18.080 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.410 -58.386 16.302 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.534 -57.729 15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.453 -58.621 16.404 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.385 -59.182 17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.961 -61.079 16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.261 -60.716 16.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.530 -61.098 13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.717 -59.608 14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.395 -59.668 14.261 1.00 0.00 H new ATOM 586 N CYS A 36 32.682 -54.449 14.898 1.00 0.00 N ATOM 587 CA CYS A 36 32.902 -54.079 13.494 1.00 0.00 C ATOM 588 C CYS A 36 34.086 -54.871 12.942 1.00 0.00 C ATOM 589 O CYS A 36 35.130 -54.978 13.582 1.00 0.00 O ATOM 590 CB CYS A 36 33.164 -52.578 13.395 1.00 0.00 C ATOM 591 SG CYS A 36 32.845 -52.020 11.712 1.00 0.00 S ATOM 0 H CYS A 36 33.367 -54.089 15.562 1.00 0.00 H new ATOM 0 HA CYS A 36 32.016 -54.315 12.905 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.525 -52.040 14.095 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.195 -52.359 13.672 1.00 0.00 H new ATOM 596 N CYS A 37 33.931 -55.451 11.760 1.00 0.00 N ATOM 597 CA CYS A 37 34.985 -56.338 11.252 1.00 0.00 C ATOM 598 C CYS A 37 35.553 -55.851 9.922 1.00 0.00 C ATOM 599 O CYS A 37 34.847 -55.327 9.060 1.00 0.00 O ATOM 600 CB CYS A 37 34.405 -57.739 11.072 1.00 0.00 C ATOM 601 SG CYS A 37 35.729 -58.876 10.634 1.00 0.00 S ATOM 0 H CYS A 37 33.122 -55.335 11.150 1.00 0.00 H new ATOM 0 HA CYS A 37 35.800 -56.344 11.975 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.919 -58.065 11.991 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.642 -57.733 10.293 1.00 0.00 H new ATOM 606 N LYS A 38 36.847 -56.076 9.747 1.00 0.00 N ATOM 607 CA LYS A 38 37.486 -55.785 8.459 1.00 0.00 C ATOM 608 C LYS A 38 37.545 -57.071 7.630 1.00 0.00 C ATOM 609 O LYS A 38 37.597 -58.179 8.165 1.00 0.00 O ATOM 610 CB LYS A 38 38.895 -55.257 8.748 1.00 0.00 C ATOM 611 CG LYS A 38 39.632 -54.796 7.488 1.00 0.00 C ATOM 612 CD LYS A 38 41.027 -54.284 7.847 1.00 0.00 C ATOM 613 CE LYS A 38 41.786 -53.831 6.601 1.00 0.00 C ATOM 614 NZ LYS A 38 43.136 -53.382 6.980 1.00 0.00 N ATOM 0 H LYS A 38 37.470 -56.452 10.462 1.00 0.00 H new ATOM 0 HA LYS A 38 36.925 -55.040 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.828 -54.424 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.477 -56.039 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.711 -55.623 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.064 -54.008 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.943 -53.453 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.588 -55.071 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.852 -54.650 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.247 -53.021 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.651 -53.074 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.063 -52.588 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 43.649 -54.167 7.430 1.00 0.00 H new ATOM 628 N LYS A 39 37.555 -56.935 6.310 1.00 0.00 N ATOM 629 CA LYS A 39 37.690 -58.127 5.462 1.00 0.00 C ATOM 630 C LYS A 39 39.169 -58.482 5.267 1.00 0.00 C ATOM 631 O LYS A 39 40.062 -57.887 5.872 1.00 0.00 O ATOM 632 CB LYS A 39 36.929 -57.930 4.141 1.00 0.00 C ATOM 633 CG LYS A 39 37.596 -57.004 3.116 1.00 0.00 C ATOM 634 CD LYS A 39 37.851 -55.597 3.659 1.00 0.00 C ATOM 635 CE LYS A 39 38.234 -54.608 2.556 1.00 0.00 C ATOM 636 NZ LYS A 39 39.421 -55.075 1.819 1.00 0.00 N ATOM 0 H LYS A 39 37.475 -56.049 5.811 1.00 0.00 H new ATOM 0 HA LYS A 39 37.233 -58.984 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 39 36.783 -58.906 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.939 -57.534 4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 39 38.543 -57.443 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.964 -56.937 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 39 36.957 -55.240 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 39 38.648 -55.636 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.399 -54.485 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 39 38.434 -53.630 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 39.621 -54.423 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 40.239 -55.105 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 39.243 -56.027 1.441 1.00 0.00 H new ATOM 650 N GLY A 40 39.439 -59.492 4.453 1.00 0.00 N ATOM 651 CA GLY A 40 40.814 -59.990 4.349 1.00 0.00 C ATOM 652 C GLY A 40 41.495 -59.519 3.071 1.00 0.00 C ATOM 653 O GLY A 40 41.775 -58.334 2.888 1.00 0.00 O ATOM 0 H GLY A 40 38.754 -59.973 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 40 41.388 -59.652 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 40 40.808 -61.080 4.377 1.00 0.00 H new ATOM 657 N SER A 41 41.794 -60.463 2.190 1.00 0.00 N ATOM 658 CA SER A 41 42.533 -60.120 0.972 1.00 0.00 C ATOM 659 C SER A 41 41.560 -59.782 -0.155 1.00 0.00 C ATOM 660 O SER A 41 41.285 -60.587 -1.045 1.00 0.00 O ATOM 661 CB SER A 41 43.438 -61.296 0.596 1.00 0.00 C ATOM 662 OG SER A 41 42.660 -62.457 0.341 1.00 0.00 O ATOM 0 H SER A 41 41.547 -61.448 2.285 1.00 0.00 H new ATOM 0 HA SER A 41 43.153 -59.240 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 41 44.026 -61.043 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 41 44.143 -61.493 1.403 1.00 0.00 H new ATOM 0 HG SER A 41 41.957 -62.244 -0.308 1.00 0.00 H new ATOM 668 N GLY A 42 41.038 -58.567 -0.111 1.00 0.00 N ATOM 669 CA GLY A 42 40.095 -58.141 -1.145 1.00 0.00 C ATOM 670 C GLY A 42 39.338 -56.911 -0.666 1.00 0.00 C ATOM 671 O GLY A 42 39.696 -55.785 -1.071 1.00 0.00 O ATOM 672 OXT GLY A 42 38.387 -57.062 0.131 1.00 0.00 O ATOM 0 H GLY A 42 41.240 -57.871 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.629 -57.916 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.396 -58.947 -1.369 1.00 0.00 H new TER 676 GLY A 42